2-methyl-1H-isoquinoline;1-methyl-2H-quinoline

C20H22N2 — CID 161281450

IUPAC2-methyl-1H-isoquinoline;1-methyl-2H-quinoline
SMILESCN1C=Cc2ccccc2C1.CN1CC=Cc2ccccc21
InChIInChI=1S/2C10H11N/c1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11/h2*2-7H,8H2,1H3
InChIKeyVFDJSQZPPGXEFK-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.25
Rot. Bonds

About 2-methyl-1H-isoquinoline;1-methyl-2H-quinoline

2-methyl-1H-isoquinoline;1-methyl-2H-quinoline (PubChem CID 161281450) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methyl-1H-isoquinoline;1-methyl-2H-quinoline.

Molecular Properties

Compound Name2-methyl-1H-isoquinoline;1-methyl-2H-quinoline
PubChem CID161281450
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name2-methyl-1H-isoquinoline;1-methyl-2H-quinoline
SMILESCN1C=Cc2ccccc2C1.CN1CC=Cc2ccccc21
InChIInChI=1S/2C10H11N/c1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11/h2*2-7H,8H2,1H3
InChIKeyVFDJSQZPPGXEFK-UHFFFAOYSA-N
XLogP4.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-isoquinoline;1-methyl-2H-quinoline?
The IUPAC name of 2-methyl-1H-isoquinoline;1-methyl-2H-quinoline (CID 161281450) is 2-methyl-1H-isoquinoline;1-methyl-2H-quinoline.
What is the SMILES notation for 2-methyl-1H-isoquinoline;1-methyl-2H-quinoline?
The canonical SMILES for 2-methyl-1H-isoquinoline;1-methyl-2H-quinoline is CN1C=Cc2ccccc2C1.CN1CC=Cc2ccccc21.
What is the InChIKey of 2-methyl-1H-isoquinoline;1-methyl-2H-quinoline?
The InChIKey is VFDJSQZPPGXEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H11N/c1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11/h2*2-7H,8H2,1H3.
What are the key properties of 2-methyl-1H-isoquinoline;1-methyl-2H-quinoline?
2-methyl-1H-isoquinoline;1-methyl-2H-quinoline has a molecular weight of 290.41 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-isoquinoline;1-methyl-2H-quinoline is sourced from PubChem (CID 161281450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).